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DocumentationIdentifier: MM75423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75423 |
| SMILES |
C#CCC(=CC=O)NC=O
|
| InChIKey |
NKIABDLBTBXAFD-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51829
Similarity: 0.7642
Similarity to MM51829
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304544
Similarity: 0.6831
Similarity to MM304544
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.8117 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75368
Similarity: 0.6714
Similarity to MM75368
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8034 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
